(phenylmethyl) 2-(3-nitro-4-oxidanylidene-8-prop-2-enyl-chromen-2-yl)benzoate

Systemtic Name: (phenylmethyl) 2-(3-nitro-4-oxidanylidene-8-prop-2-enyl-chromen-2-yl)benzoate Openeye Name: benzyl 2-(8-allyl-3-nitro-4-oxo-chromen-2-yl)benzoate CAS Name: 2-(3-nitro-4-oxo-8-prop-2-enyl-1-benzopyran-2-yl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-nitro-4-oxo-8-prop-2-enylchromen-2-yl)benzoate Traditional Name: 2-(8-allyl-4-keto-3-nitro-chromen-2-yl)benzoic acid benzyl ester Formula: C26H19NO6 MolecularWeight: 441.43216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(=C(C2=O)[N+](=O)[O-])C3=CC=CC=C3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=CCC1=CC=CC2=C1OC(=C(C2=O)[N+](=O)[O-])C3=CC=CC=C3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H19NO6/c1-2-9-18-12-8-15-21-23(28)22(27(30)31)25(33-24(18)21)19-13-6-7-14-20(19)26(29)32-16-17-10-4-3-5-11-17/h2-8,10-15H,1,9,16H2